5-acetamido-2-(3-oxidanylidenepiperazin-1-yl)benzoic acid

Systemtic Name: 5-acetamido-2-(3-oxidanylidenepiperazin-1-yl)benzoic acid Openeye Name: 5-acetamido-2-(3-oxopiperazin-1-yl)benzoic acid CAS Name: 5-acetamido-2-(3-oxo-1-piperazinyl)benzoic acid IUPAC Name: 5-acetamido-2-(3-oxopiperazin-1-yl)benzoic acid Traditional Name: 5-acetamido-2-(3-ketopiperazino)benzoic acid Formula: C13H15N3O4 MolecularWeight: 277.2759

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)N2CCNC(=O)C2)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)N2CCNC(=O)C2)C(=O)O

InChI

InChI=1S/C13H15N3O4/c1-8(17)15-9-2-3-11(10(6-9)13(19)20)16-5-4-14-12(18)7-16/h2-3,6H,4-5,7H2,1H3,(H,14,18)(H,15,17)(H,19,20)